(2-nonoxy-4-pyrrolidin-1-ylphenyl)iminoazanium

C19H32N3O+ — CID 20762669

IUPAC(2-nonoxy-4-pyrrolidin-1-ylphenyl)iminoazanium
SMILESCCCCCCCCCOc1cc(N2CCCC2)ccc1N=[NH2+]
InChIInChI=1S/C19H31N3O/c1-2-3-4-5-6-7-10-15-23-19-16-17(11-12-18(19)21-20)22-13-8-9-14-22/h11-12,16,20H,2-10,13-15H2,1H3/p+1
InChIKeyIIIOVVZMDJWESL-UHFFFAOYSA-O
MW318.49 g/mol
LogP4.26
Rot. Bonds11

About (2-nonoxy-4-pyrrolidin-1-ylphenyl)iminoazanium

(2-nonoxy-4-pyrrolidin-1-ylphenyl)iminoazanium (PubChem CID 20762669) has the molecular formula C19H32N3O+ and a molecular weight of 318.49 g/mol. Its IUPAC name is (2-nonoxy-4-pyrrolidin-1-ylphenyl)iminoazanium.

Molecular Properties

Compound Name(2-nonoxy-4-pyrrolidin-1-ylphenyl)iminoazanium
PubChem CID20762669
Molecular FormulaC19H32N3O+
Molecular Weight318.49 g/mol
Exact Mass318.25
IUPAC Name(2-nonoxy-4-pyrrolidin-1-ylphenyl)iminoazanium
SMILESCCCCCCCCCOc1cc(N2CCCC2)ccc1N=[NH2+]
InChIInChI=1S/C19H31N3O/c1-2-3-4-5-6-7-10-15-23-19-16-17(11-12-18(19)21-20)22-13-8-9-14-22/h11-12,16,20H,2-10,13-15H2,1H3/p+1
InChIKeyIIIOVVZMDJWESL-UHFFFAOYSA-O
XLogP4.26
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(2-hexoxy-4-piperidin-1-ylphenyl)diazene
CID 20762664
1-(3-tetradecoxyphenyl)pyrrolidine
CID 54006267
(2,4-dibutoxyphenyl)iminoazanium
CID 59821708
4-(3,4-dioctoxyphenyl)-1,4-thiazinane 1,1-dioxide
CID 23393076
[2,5-didecoxy-4-(4-methylphenyl)phenyl]iminoazanium
CID 20729269
[4-[5-(dibutylamino)peroxysulfanyl-2,3-dihydroindol-1-yl]-2-octoxyphenyl]iminoazanium
CID 59000273
1-(4-hexoxy-3-methylphenyl)piperazine
CID 63214255
methyl 2-butoxy-5-piperidin-1-ylbenzoate
CID 70668646
1,2,4,5-tetrakis-decoxybenzene
CID 10556791
1-[3-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine
CID 168514292
1-(4-pentylphenyl)pyrrolidine
CID 168512151
4-(4-methyl-1,4-diazepan-1-yl)-2-propoxyaniline
CID 63671935

Frequently Asked Questions

What is the IUPAC name of (2-nonoxy-4-pyrrolidin-1-ylphenyl)iminoazanium?
The IUPAC name of (2-nonoxy-4-pyrrolidin-1-ylphenyl)iminoazanium (CID 20762669) is (2-nonoxy-4-pyrrolidin-1-ylphenyl)iminoazanium.
What is the SMILES notation for (2-nonoxy-4-pyrrolidin-1-ylphenyl)iminoazanium?
The canonical SMILES for (2-nonoxy-4-pyrrolidin-1-ylphenyl)iminoazanium is CCCCCCCCCOc1cc(N2CCCC2)ccc1N=[NH2+].
What is the InChIKey of (2-nonoxy-4-pyrrolidin-1-ylphenyl)iminoazanium?
The InChIKey is IIIOVVZMDJWESL-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H31N3O/c1-2-3-4-5-6-7-10-15-23-19-16-17(11-12-18(19)21-20)22-13-8-9-14-22/h11-12,16,20H,2-10,13-15H2,1H3/p+1.
What are the key properties of (2-nonoxy-4-pyrrolidin-1-ylphenyl)iminoazanium?
(2-nonoxy-4-pyrrolidin-1-ylphenyl)iminoazanium has a molecular weight of 318.49 g/mol, XLogP of 4.26, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nonoxy-4-pyrrolidin-1-ylphenyl)iminoazanium is sourced from PubChem (CID 20762669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).